[Pw_forum] How to control number of slabs in pwcond calculation?

xirainbow nkxirainbow at gmail.com
Sat Sep 12 05:06:25 CEST 2009


Dear* *Manoj Srivastava:
*     Thanks very much for your reply :)*
*     As I am not familiar with fortran, it is not a good idea for me to
change the script :)*

*     I collect the distance between neighboring slabs:*
* 4.57*0.0566=0.259 (ni.cond.out)
12*0.025=0.3   (Alwireal.cond.out)
5.3*0.0673=0.357  (al.cond.out)
12*0.025=0.3(for lead)  12*0.0257=0.308(for scattering) (AlwireH.cond.out)

I think the default value for neighboring-slab distance is around 0.3 a.u.

Thanks again :)
*____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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